mp-26725-2/LiSnPO4/harm

Equation of state

../../_images/fig_bm6020.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12240.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16402.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12240.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211939.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times20760.png

(a) Computation time